MMsINC Database Search


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MMsINC code: MMs00055723

Type: Neutral
Formula: C₁₄H₁₉NO

SMILES:

O=C(N(C(C)C1CC1)Cc1ccccc1)C

InChI:

InChI=1/C14H19NO/c1-11(14-8-9-14)15(12(2)16)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0313 kcal/mol

Physical Properties
Molecular Weight: 217.312 g/mol	logS: -2.3883	SlogP: 3.1	Reactive groups: 0

Topological Properties
Globularity: 0.189564	Sterimol/B1: 3.15302	Sterimol/B2: 3.80532	Sterimol/B3: 4.55282
Sterimol/B4: 5.42244	Sterimol/L: 11.2872

Surface and Volume Properties
Accessible surface: 431.191	Positive charged surface: 274.623	Negative charged surface: 156.568	Volume: 239.875
Hydrophobic surface: 352.187	Hydrophilic surface: 79.004

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.